N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide

C11H16N2O3S — CID 24693382

IUPACN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1/C(C)=N/O
InChIInChI=1S/C11H16N2O3S/c1-3-8-17(15,16)13-11-7-5-4-6-10(11)9(2)12-14/h4-7,13-14H,3,8H2,1-2H3/b12-9+
InChIKeyZNKUMTZQMLLJEC-FMIVXFBMSA-N
MW256.33 g/mol
LogP2.04
Rot. Bonds5

About N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide

N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide (PubChem CID 24693382) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide
PubChem CID24693382
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1/C(C)=N/O
InChIInChI=1S/C11H16N2O3S/c1-3-8-17(15,16)13-11-7-5-4-6-10(11)9(2)12-14/h4-7,13-14H,3,8H2,1-2H3/b12-9+
InChIKeyZNKUMTZQMLLJEC-FMIVXFBMSA-N
XLogP2.04
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide (CID 24693382) is N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccccc1/C(C)=N/O.
What is the InChIKey of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide?
The InChIKey is ZNKUMTZQMLLJEC-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-8-17(15,16)13-11-7-5-4-6-10(11)9(2)12-14/h4-7,13-14H,3,8H2,1-2H3/b12-9+.
What are the key properties of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide?
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 24693382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).